Antioquine

(Difference between revisions)

Revision as of 11:55, 10 December 2009

Antioquine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	125069
Chemical data
Formula	C₃₇H₄₀N₂O₆
Mol. mass	608.7233
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

structure given in first source; bisbenzylisoquinoline alkaloid isolated from Pseudoxandra sclerocarpa, smooth muscle relaxing properties.

*Molecular Weight

608.7233

*Molecular Formula

C₃₇H₄₀N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC

*Isomeric Smiles

CN1CCC2=CC3=C(C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC

*XLogP

5.5

*Topological Polar Surface Area

83.9

Revision as of 06:09, 1 May 2009 (edit) Bharat (Talk \| contribs) (→Description) ← Previous diff		Revision as of 11:55, 10 December 2009 (edit) (undo) Neetikagambhir (Talk \| contribs) (→External Links) Next diff →
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	[http://crdd.osdd.net/raghava/biadb/detail.php?id=1103 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=1103 Link to BIAdb Database]
		+	[[Category:BIAdb]]